HMS LINCS ID: 10047-101

Name: Pictilisib

Alternative Names: Picdivelisib; GDC-0941; RG-7321

LINCS ID: LSM-1047

PubChem CID: 17755052

ChEBI ID:

ChEMBL ID: 521851

Molecular Mass: 513.16

InChi: InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)

InChi Key: LHNIIDJUOCFXAP-UHFFFAOYSA-N

SMILES: CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-12-20

HMS LINCS ID: 10046-101

Name: SB590885

Alternative Names:

LINCS ID: LSM-1046

PubChem CID: 53239990

ChEBI ID:

ChEMBL ID:

Molecular Mass: 453.22

InChi: InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,28H,6,10,15-16H2,1-2H3,(H,29,30)

InChi Key: DPCXEUSDRQOOGZ-UHFFFAOYSA-N

SMILES: CN(C)CCOC1=CC=C(C=C1)C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10045-101

Name: A443654

Alternative Names:

LINCS ID: LSM-1045

PubChem CID: 10172943

ChEBI ID:

ChEMBL ID: 379300

Molecular Mass: 397.19

InChi: InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1

InChi Key: YWTBGJGMTBHQTM-IBGZPJMESA-N

SMILES: CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10044-104

Name: KIN001-242

Alternative Names: FMK

LINCS ID: LSM-1044

PubChem CID: 56965963

ChEBI ID:

ChEMBL ID:

Molecular Mass: 399.21

InChi: InChI=1S/C21H26FN5O2/c1-14-4-6-15(7-5-14)17-18-20(23)25-13-26-21(18)27(19(17)16(28)12-22)10-3-8-24-9-11-29-2/h4-7,13,24H,3,8-12H2,1-2H3,(H2,23,25,26)

InChi Key: UPTQGXMIZXGVSC-UHFFFAOYSA-N

SMILES: CC1=CC=C(C=C1)C2=C(N(C3=C2C(=NC=N3)N)CCCNCCOC)C(=O)CF

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10043-101

Name: KIN001-127

Alternative Names:

LINCS ID: LSM-1043

PubChem CID: 20635522

ChEBI ID:

ChEMBL ID:

Molecular Mass: 609.24

InChi: InChI=1S/C31H39N5O4S2/c1-19(2)21(4)32-17-23-7-9-24(10-8-23)29(38)34-31-33-18-28(42-31)41-27-16-25(26(40-6)15-20(27)3)30(39)36-13-11-35(12-14-36)22(5)37/h7-10,15-16,18-19,21,32H,11-14,17H2,1-6H3,(H,33,34,38)

InChi Key: RRHONYZEMUNMJX-UHFFFAOYSA-N

SMILES: CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C(C)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10042-101

Name: Motesanib

Alternative Names: AMG706

LINCS ID: LSM-1042

PubChem CID: 11667893

ChEBI ID:

ChEMBL ID:

Molecular Mass: 373.19

InChi: InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)

InChi Key: RAHBGWKEPAQNFF-UHFFFAOYSA-N

SMILES: CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10041-101

Name: BI-2536

Alternative Names: NPK33-1-98-1

LINCS ID: LSM-1041

PubChem CID: 11364421

ChEBI ID:

ChEMBL ID: 513909

Molecular Mass: 521.31

InChi: InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1

InChi Key: XQVVPGYIWAGRNI-JOCHJYFZSA-N

SMILES: CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10040-101

Name: R406

Alternative Names:

LINCS ID: LSM-1040

PubChem CID: 11213558

ChEBI ID:

ChEMBL ID:

Molecular Mass: 470.17

InChi: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)

InChi Key: NHHQJBCNYHBUSI-UHFFFAOYSA-N

SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10039-101

Name: WH-4-025

Alternative Names:

LINCS ID: LSM-5431

PubChem CID:

ChEBI ID:

ChEMBL ID:

Date Publicly Available:

Most Recent Update: 2016-04-04

HMS LINCS ID: 10038-101

Name: WH-4-023

Alternative Names:

LINCS ID: LSM-5613

PubChem CID:

ChEBI ID:

ChEMBL ID:

Molecular Mass: 568.28

InChi: InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)

InChi Key: NBTNHSGBRGTFJS-UHFFFAOYSA-N

SMILES: O=C(OC1=C(C)C=CC=C1C)N(C2=CC=C(OC)C=C2OC)C3=NC(NC4=CC=C(N5CCN(C)CC5)C=C4)=NC=C3

Relevant Citations:

Date Publicly Available:

Most Recent Update: 2016-04-04