DM4

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H54ClN3O10S
Molecular Weight	780.367
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(OC)=C(Cl)C(=C2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4

InChI

InChIKey=JFCFGYGEYRIEBE-YVLHJLIDSA-N

InChI=1S/C38H54ClN3O10S/c1-21-12-11-13-28(49-10)38(47)20-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)30(43)14-15-36(4,5)53)19-31(44)42(8)25-17-24(16-21)18-26(48-9)32(25)39/h11-13,17-18,22-23,27-29,33,47,53H,14-16,19-20H2,1-10H3,(H,40,46)/b13-11+,21-12+/t22-,23+,27+,28-,29+,33+,37+,38+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H54ClN3O10S
Molecular Weight	780.367
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Epidermal growth factor receptor 49 Target ID: CHEMBL2363049 Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20050428&CC=WO&NR=2005037992A2&KC=A2	Inhibitor 8504

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:10:23 GMT 2025` Edited by `admin` on `Mon Mar 31 18:10:23 GMT 2025`
Record UNII	WOB38VS2NI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DM4

Common Name

English

MAYTANSINE, N2'-DEACETYL-N2'-(4-MERCAPTO-4-METHYL-1-OXOPENTYL)

Preferred Name

English

MAYTANSINOID DM4

Common Name

English

MAYTANSINOID DM 4

Common Name

English

Code System Code Type Description

SMS_ID

300000053286